(2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid

C9H12N2O5 — CID 107834816

IUPAC(2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCc1cnoc1C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C9H12N2O5/c1-5-4-11-16-7(5)8(13)10-3-2-6(12)9(14)15/h4,6,12H,2-3H2,1H3,(H,10,13)(H,14,15)/t6-/m0/s1
InChIKeyDDTSCIDOHORZHQ-LURJTMIESA-N
MW228.20 g/mol
LogP-0.45
Rot. Bonds5

About (2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid

(2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid (PubChem CID 107834816) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
PubChem CID107834816
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name(2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCc1cnoc1C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C9H12N2O5/c1-5-4-11-16-7(5)8(13)10-3-2-6(12)9(14)15/h4,6,12H,2-3H2,1H3,(H,10,13)(H,14,15)/t6-/m0/s1
InChIKeyDDTSCIDOHORZHQ-LURJTMIESA-N
XLogP-0.45
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 66334474
N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 83029629
N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335116
N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 115668320
N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 113248507
N-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335559
2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 107832050
2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid
CID 107831683
2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 107832742
(2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107830037
4-methyl-N-(2-piperazin-1-ylethyl)-1,2-oxazole-5-carboxamide
CID 66336168
2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 66336140

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid (CID 107834816) is (2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid is Cc1cnoc1C(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The InChIKey is DDTSCIDOHORZHQ-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N2O5/c1-5-4-11-16-7(5)8(13)10-3-2-6(12)9(14)15/h4,6,12H,2-3H2,1H3,(H,10,13)(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
(2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid has a molecular weight of 228.20 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107834816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).